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separated the binaries #163

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Merged
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Feb 1, 2023
Merged

separated the binaries #163

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59 changes: 29 additions & 30 deletions continuousflex/__init__.py
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Original file line number Diff line number Diff line change
Expand Up @@ -44,7 +44,7 @@
# Use this general activation variable when installed outside Scipion
MODEL_CONTINUOUSFLEX_ACTIVATION_VAR = "MODEL_CONTINUOUSFLEX_ACTIVATION"

__version__ = "3.3.8"
__version__ = "3.3.9"


class Plugin(pwem.Plugin):
Expand Down Expand Up @@ -107,35 +107,6 @@ def defineCondaInstallation(version):
tar=VOID_TGZ,
default=True)

lib_path = cls.getCondaLibPath()

env.addPackage('nma', version='3.1',
url='https://github.com/continuousflex-org/NMA_basic_code/raw/master/nma_v5.tar',
createBuildDir=False,
buildDir='nma',
target="nma",
commands=[('cd ElNemo; make; mv nma_* ..', 'nma_elnemo_pdbmat'),
('cd NMA_cart; LDFLAGS=-L%s make; mv nma_* ..'
% lib_path, 'nma_diag_arpack')],
neededProgs=['gfortran'], default=True)

target_branch = "merge_genesis_1.4"
output = subprocess.getoutput("gfortran --version")
gfotran_version = int(re.search(r'\d+', output).group())
if gfotran_version >= 10:
FFLAGS = "-fallow-argument-mismatch -ffree-line-length-none"
else:
FFLAGS = "-ffree-line-length-none"

cmd = 'git clone -b %s https://github.com/continuousflex-org/MD-NMMD-Genesis.git . ; autoreconf -fi ;' \
' ./configure LDFLAGS=-L\"%s\" FFLAGS=\"%s\";' \
' make install;' % (target_branch, lib_path, FFLAGS)

env.addPackage('MD-NMMD-Genesis', version=MD_NMMD_GENESIS_VERSION,
buildDir='MD-NMMD-Genesis', tar="void.tgz",
commands=[(cmd, ["bin/atdyn"])],
neededProgs=['mpif90'], default=True)

def getCondaInstallation(version, txtfile):
installationCmd = cls.getCondaActivationCmd()
# If nvcc is not in the path, don't install Optical Flow or DeepLearning Libraries
Expand All @@ -152,3 +123,31 @@ def getCondaInstallation(version, txtfile):
# Install the conda environment followed by the binaries
defineCondaInstallation(__version__)

lib_path = cls.getCondaLibPath()

env.addPackage('nma', version='3.1',
url='https://github.com/continuousflex-org/NMA_basic_code/raw/master/nma_v5.tar',
createBuildDir=False,
buildDir='nma',
target="nma",
commands=[('cd ElNemo; make; mv nma_* ..', 'nma_elnemo_pdbmat'),
('cd NMA_cart; LDFLAGS=-L%s make; mv nma_* ..'
% lib_path, 'nma_diag_arpack')],
neededProgs=['gfortran'], default=True)

target_branch = "merge_genesis_1.4"
output = subprocess.getoutput("gfortran --version")
gfotran_version = int(re.search(r'\d+', output).group())
if gfotran_version >= 10:
FFLAGS = "-fallow-argument-mismatch -ffree-line-length-none"
else:
FFLAGS = "-ffree-line-length-none"

cmd = 'git clone -b %s https://github.com/continuousflex-org/MD-NMMD-Genesis.git . ; autoreconf -fi ;' \
' ./configure LDFLAGS=-L\"%s\" FFLAGS=\"%s\";' \
' make install;' % (target_branch, lib_path, FFLAGS)

env.addPackage('MD-NMMD-Genesis', version=MD_NMMD_GENESIS_VERSION,
buildDir='MD-NMMD-Genesis', tar="void.tgz",
commands=[(cmd, ["bin/atdyn"])],
neededProgs=['mpif90'], default=True)