Electrostatics / apbs

Software for biomolecular electrostatics and solvation calculations
http://www.poissonboltzmann.org/
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cmake does not find blas #286

Open vcojocaru opened 1 year ago

vcojocaru commented 1 year ago

Hi,

I was trying to build APBS (current github repo) from source following the documentation on a machine with openSUSE Tumbleweed. However, cmake (3.27.2) is not able to find the BLAS libraries (see log below). I checked all the packages and development packages needed for blas, lapack (including openblas) and they are all installed. Any idea on how to fix this issue would be very welcome.

Thanks a lot

Cheers Vlad

-- The C compiler identification is GNU 13.2.1 -- The CXX compiler identification is GNU 13.2.1 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/cc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/c++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Install prefix: /apps/apbs/2023-11-21/build

-- APBS Static build: ON -- Building shared libs: OFF -- Find-library suffixes: .a;.so;.a

-- Building FETK from commit 57195e55351e04ce6ee0ef56a143c996a9aee7e2 -- FETK set_basic_vars_and_paths: FALSE, FETK -- Setting project paths -- Install prefix: /apps/apbs/2023-11-21/build -- FETK static build: ON -- Building shared libs: OFF -- Find-library suffixes: .a;.a;.so;.a Configuring build for MALOC -- FETK set_basic_vars_and_paths: FALSE, maloc -- Looking for sys/types.h -- Looking for sys/types.h - found -- Looking for stdint.h -- Looking for stdint.h - found -- Looking for stddef.h -- Looking for stddef.h - found -- Check size of mode_t -- Check size of mode_t - done -- Check size of pid_t -- Check size of pid_t - done -- Check size of size_t -- Check size of size_t - done -- Looking for 4 include files stdlib.h, ..., float.h -- Looking for 4 include files stdlib.h, ..., float.h - found -- Looking for include file unistd.h -- Looking for include file unistd.h - found -- Looking for include file sys/socket.h -- Looking for include file sys/socket.h - found -- Looking for include file sys/time.h -- Looking for include file sys/time.h - found -- Looking for include file sys/un.h -- Looking for include file sys/un.h - found -- Looking for include file sys/wait.h -- Looking for include file sys/wait.h - found -- Looking for include file netinet/in.h -- Looking for include file netinet/in.h - found -- Looking for include file arpa/inet.h -- Looking for include file arpa/inet.h - found -- Looking for include file netdb.h -- Looking for include file netdb.h - found -- Looking for include file sys/stat.h -- Looking for include file sys/stat.h - found -- Looking for include file fcntl.h -- Looking for include file fcntl.h - found -- Looking for include file rpc/rpc.h -- Looking for include file rpc/rpc.h - found -- Looking for getcwd -- Looking for getcwd - found -- Looking for O_NONBLOCK -- Looking for O_NONBLOCK - found -- Type: INTERNAL_HEADERS -- Items: /apps/apbs/2023-11-21/build/_deps/fetk-build/maloc/src/maloccf.h -- Type: SOURCES -- Items: maloc_base.c -- Type: EXTERNAL_HEADERS -- Items: maloc/maloc.h;maloc/maloc_base.h -- Type: INTERNAL_HEADERS -- Items: maloc_base_p.h -- Type: SOURCES -- Items: psh.c;vcom.c;vmp.c;vmpi.c -- Type: EXTERNAL_HEADERS -- Items: maloc/psh.h;maloc/vcom.h;maloc/vmp.h;maloc/vmpi.h -- Type: INTERNAL_HEADERS -- Items: psh_p.h;vcom_p.h;vmpi_p.h;vmp_p.h -- Type: SOURCES -- Items: vlex.c;vpars.c;vpup.c;vsh.c;vyacc.c -- Type: EXTERNAL_HEADERS -- Items: maloc/vsh.h -- Type: INTERNAL_HEADERS -- Items: vpup.h;vsh_p.h;vyacc.h -- Type: SOURCES -- Items: vio.c;viofb.c;vmem.c;vnm.c;vnmfb.c;vpred.c;vset.c;ziofb.c -- Type: EXTERNAL_HEADERS -- Items: maloc/vio.h;maloc/vmem.h;maloc/vnm.h;maloc/vset.h;maloc/vsys.h;maloc/vpred.h -- Type: INTERNAL_HEADERS -- Items: vio_p.h;vmem_p.h;vnm_p.h;vpred_p.h;vset_p.h Configuring build for PUNC -- FETK set_basic_vars_andpaths: FALSE, punc -- Will build vf2c -- Looking for sgemm -- Looking for sgemm_ - not found -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBCPTHREAD - Success -- Found Threads: TRUE
-- Looking for sgemm
-- Looking for sgemm_ - not found -- Could NOT find BLAS (missing: BLAS_LIBRARIES) -- Will build BLAS -- Will build SuperLU -- Will build ARPACK -- Will build CGCODE -- Building vf2c -- Type: EXTERNAL_HEADERS -- Items: punc/varpack.h;punc/vblas.h;punc/vcgcode.h;punc/vlapack.h;punc/vpmg.h;punc/vf2c.h -- Type: INTERNAL_HEADERS -- Items: f2c.h;fio.h;fmt.h;fp.h;lio.h;rawio.h;signal1.h;sysdep1.h -- Type: SOURCES -- Items: f77vers.c;i77vers.c;srnge.c;abort.c;exit.c;getarg.c;iargc.c;getenv.c;signal_.c;s_stop.c;spaus.c;system.c;cabs.c;derf.c;derfc.c;erf.c;erfc.c;sig_die.c;uninit.c;pow_ci.c;pow_dd.c;pow_di.c;pow_hh.c;pow_ii.c;pow_ri.c;pow_zi.c;pow_zz.c;c_abs.c;c_cos.c;c_div.c;c_exp.c;c_log.c;c_sin.c;c_sqrt.c;z_abs.c;z_cos.c;z_div.c;z_exp.c;z_log.c;z_sin.c;z_sqrt.c;r_abs.c;r_acos.c;r_asin.c;r_atan.c;r_atn2.c;r_cnjg.c;r_cos.c;r_cosh.c;r_dim.c;r_exp.c;r_imag.c;r_int.c;r_lg10.c;r_log.c;r_mod.c;r_nint.c;r_sign.c;r_sin.c;r_sinh.c;r_sqrt.c;r_tan.c;r_tanh.c;d_abs.c;d_acos.c;d_asin.c;d_atan.c;d_atn2.c;d_cnjg.c;d_cos.c;d_cosh.c;d_dim.c;d_exp.c;d_imag.c;d_int.c;d_lg10.c;d_log.c;d_mod.c;d_nint.c;d_prod.c;d_sign.c;d_sin.c;d_sinh.c;d_sqrt.c;d_tan.c;d_tanh.c;i_abs.c;i_dim.c;i_dnnt.c;i_indx.c;i_len.c;i_mod.c;i_nint.c;i_sign.c;lbitbits.c;lbitshft.c;h_abs.c;h_dim.c;h_dnnt.c;h_indx.c;h_len.c;h_mod.c;h_nint.c;h_sign.c;l_ge.c;l_gt.c;l_le.c;l_lt.c;hl_ge.c;hl_gt.c;hl_le.c;hllt.c;ef1asc.c;ef1cmc_.c;f77_aloc.c;s_cat.c;s_cmp.c;scopy.c;dtime.c;etime.c;backspac.c;close.c;dfe.c;dolio.c;due.c;endfile.c;err.c;fmt.c;fmtlib.c;ftell.c;iio.c;ilnw.c;inquire.c;lread.c;lwrite.c;open.c;rdfmt.c;rewind.c;rsfe.c;rsli.c;rsne.c;sfe.c;sue.c;typesize.c;uio.c;util.c;wref.c;wrtfmt.c;wsfe.c;wsle.c;wsne.c;xwsne.c;main.c -- Building cgcode -- Type: INTERNAL_HEADERS -- Items: vcgcode.h -- Type: SOURCES -- Items: scgdrv.c;scg.c;scr.c;scrind.c;spcg.c;scgnr.c;scgne.c;spcgnr.c;spcgne.c;sppcg.c;spcgca.c;sdpchb.c;scbfix.c;sckchb.c;scgchk.c;sonest.c;msstop.c;r1mach.c;sratqr.c;dcgdrv.c;dcg.c;dcr.c;dcrind.c;dpcg.c;dcgnr.c;dcgne.c;dpcgnr.c;dpcgne.c;dppcg.c;dpcgca.c;ddpchb.c;dcbfix.c;dckchb.c;dcgchk.c;donest.c;mdstop.c;d1mach.c;dratqr.c;depsln.c -- Building blas -- Type: INTERNAL_HEADERS -- Items: vblas.h -- Type: SOURCES -- Items: lsame.c;xerbla.c;isamax.c;sasum.c;saxpy.c;scopy.c;sdot.c;snrm2.c;srot.c;srotg.c;sscal.c;sswap.c;idamax.c;dasum.c;daxpy.c;dcopy.c;ddot.c;dnrm2.c;drot.c;drotg.c;dscal.c;dswap.c;scasum.c;scnrm2.c;icamax.c;caxpy.c;ccopy.c;cdotc.c;cdotu.c;csscal.c;crotg.c;cscal.c;cswap.c;dcabs1.c;dzasum.c;dznrm2.c;izamax.c;zaxpy.c;zcopy.c;zdotc.c;zdotu.c;zdscal.c;zrotg.c;zscal.c;zswap.c;sgemv.c;sgbmv.c;ssymv.c;ssbmv.c;sspmv.c;strmv.c;stbmv.c;stpmv.c;strsv.c;stbsv.c;stpsv.c;sger.c;ssyr.c;sspr.c;ssyr2.c;sspr2.c;dgemv.c;dgbmv.c;dsymv.c;dsbmv.c;dspmv.c;dtrmv.c;dtbmv.c;dtpmv.c;dtrsv.c;dtbsv.c;dtpsv.c;dger.c;dsyr.c;dspr.c;dsyr2.c;dspr2.c;cgemv.c;cgbmv.c;chemv.c;chbmv.c;chpmv.c;ctrmv.c;ctbmv.c;ctpmv.c;ctrsv.c;ctbsv.c;ctpsv.c;cgerc.c;cgeru.c;cher.c;chpr.c;cher2.c;chpr2.c;zgemv.c;zgbmv.c;zhemv.c;zhbmv.c;zhpmv.c;ztrmv.c;ztbmv.c;ztpmv.c;ztrsv.c;ztbsv.c;ztpsv.c;zgerc.c;zgeru.c;zher.c;zhpr.c;zher2.c;zhpr2.c;sgemm.c;ssymm.c;ssyrk.c;ssyr2k.c;strmm.c;strsm.c;dgemm.c;dsymm.c;dsyrk.c;dsyr2k.c;dtrmm.c;dtrsm.c;cgemm.c;csymm.c;csyrk.c;csyr2k.c;ctrmm.c;ctrsm.c;chemm.c;cherk.c;cher2k.c;zgemm.c;zsymm.c;zsyrk.c;zsyr2k.c;ztrmm.c;ztrsm.c;zhemm.c;zherk.c;zher2k.c;sdsdot.c;dsdot.c;srotm.c;srotmg.c;drotm.c;drotmg.c;csrot.c;zdrot.c -- Building arpack -- Type: INTERNAL_HEADERS -- Items: varpack.h -- Type: SOURCES -- Items: sgetv0.c;slaqrb.c;sstqrb.c;ssortc.c;ssortr.c;sstatn.c;sstats.c;snaitr.c;snapps.c;snaup2.c;snaupd.c;snconv.c;sneigh.c;sngets.c;ssaitr.c;ssapps.c;ssaup2.c;ssaupd.c;ssconv.c;sseigt.c;ssgets.c;sneupd.c;sseupd.c;ssesrt.c;dgetv0.c;dlaqrb.c;dstqrb.c;dsortc.c;dsortr.c;dstatn.c;dstats.c;dnaitr.c;dnapps.c;dnaup2.c;dnaupd.c;dnconv.c;dneigh.c;dngets.c;dsaitr.c;dsapps.c;dsaup2.c;dsaupd.c;dsconv.c;dseigt.c;dsgets.c;dneupd.c;dseupd.c;dsesrt.c;cnaitr.c;cnapps.c;cnaup2.c;cnaupd.c;cneigh.c;cneupd.c;cngets.c;cgetv0.c;csortc.c;cstatn.c;znaitr.c;znapps.c;znaup2.c;znaupd.c;zneigh.c;zneupd.c;zngets.c;zgetv0.c;zsortc.c;zstatn.c;cmout.c;cvout.c;dmout.c;dvout.c;icnteq.c;icopy.c;iset.c;iswap.c;ivout.c;second.c;smout.c;svout.c;zmout.c;zvout.c CMake Deprecation Warning at build/_deps/superlu-src/CMakeLists.txt:8 (cmake_minimum_required): Compatibility with CMake < 3.5 will be removed from a future version of CMake.

Update the VERSION argument value or use a ... suffix to tell CMake that the project does not need compatibility with older versions.

CMake Warning (dev) at build/_deps/superlu-src/CMakeLists.txt:11 (project): Policy CMP0048 is not set: project() command manages VERSION variables. Run "cmake --help-policy CMP0048" for policy details. Use the cmake_policy command to set the policy and suppress this warning.

The following variable(s) would be set to empty:

PROJECT_VERSION
PROJECT_VERSION_MAJOR
PROJECT_VERSION_MINOR
PROJECT_VERSION_PATCH

This warning is for project developers. Use -Wno-dev to suppress it.

Process XSDK defaults ... USE_XSDK_DEFAULTS = 'FALSE' -- SuperLU will be built as a static library. -- Did not find or specify BLAS so configure to build internal CBLAS ... CMake Error at build/_deps/superlu-src/CBLAS/CMakeLists.txt:82 (add_library): add_library cannot create target "blas" because another target with the same name already exists. The existing target is a static library created in source directory "/apps/apbs/2023-11-21/build/_deps/fetk-src/punc/src/blas". See documentation for policy CMP0002 for more details.

-- Type: INTERNAL_HEADERS -- Items: /apps/apbs/2023-11-21/build/_deps/fetk-build/punc/src/punccf.h -- Type: SOURCES -- Items: punc_base.c -- Type: EXTERNAL_HEADERS -- Items: punc/punc.h;punc/punc_base.h -- Type: INTERNAL_HEADERS -- Items: punc_base_p.h Configuring build for GAMER -- FETK set_basic_vars_and_paths: FALSE, gamer -- Type: INTERNAL_HEADERS -- Items: /apps/apbs/2023-11-21/build/_deps/fetk-build/gamer/src/gamercf.h -- Type: SOURCES -- Items: gamer_base.c -- Type: EXTERNAL_HEADERS -- Items: gamer/gamer.h;gamer/gamer_base.h -- Type: INTERNAL_HEADERS -- Items: gamer_base_p.h -- Type: SOURCES -- Items: triangle.c -- Type: EXTERNAL_HEADERS -- Items: gamer/triangle.h -- Type: INTERNAL_HEADERS -- Items: triangle_p.h -- Type: SOURCES -- Items: predicates.cpp;tetgen.cpp -- Type: EXTERNAL_HEADERS -- Items: gamer/tetgen.h -- Type: INTERNAL_HEADERS -- Items: tetgen_p.h -- Type: SOURCES -- Items: CorrectNormals.C;GenerateSphereMesh.C;MarchingCube.C;PDB2Mesh.C;PDB2Volume.C;ReadLattice.C;ReadPDB.C;ReadWriteMesh.C;RegionGrowing.C;SurfaceMesh.C;SurfExtract.C;SurfRefine.C;SurfSmooth.C -- Type: EXTERNAL_HEADERS -- Items: gamer/biom.h -- Type: INTERNAL_HEADERS -- Items: MarchingCube.h;PDB2Volume.h Configuring build for MC -- FETK set_basic_vars_and_paths: FALSE, mc -- Found UMFPACK: /usr/include/suitesparse
-- @@@@ finding blas -- Could NOT find BLAS (missing: BLAS_LIBRARIES) CMake Error at build/_deps/fetk-src/cmake/FindSuiteSparse.cmake:139 (message): Failed to find SuiteSparse - Did not find BLAS library (required for SuiteSparse). Call Stack (most recent call first): build/_deps/fetk-src/cmake/FindSuiteSparse.cmake:286 (suitesparse_report_not_found) build/_deps/fetk-src/mc/CMakeLists.txt:38 (find_package)

-- Configuring incomplete, errors occurred!